3-[2-[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl]sulfanyl-4-cyclopropyl-1H-1,2,4-triazol-5-one

Systemtic Name: 3-[2-[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl]sulfanyl-4-cyclopropyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[2-[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl]sulfanyl-4-cyclopropyl-1H-1,2,4-triazol-5-one CAS Name: 3-[[2-[1-(4-bromophenyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl]thio]-4-cyclopropyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[2-[1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]sulfanyl-4-cyclopropyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[[2-[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-keto-ethyl]thio]-4-cyclopropyl-1H-1,2,4-triazol-5-one Formula: C19H19BrN4O2S MolecularWeight: 447.34876

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)Br)C)C(=O)CSC3=NNC(=O)N3C4CC4

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)Br)C)C(=O)CSC3=NNC(=O)N3C4CC4

InChI

InChI=1S/C19H19BrN4O2S/c1-11-9-16(12(2)23(11)14-5-3-13(20)4-6-14)17(25)10-27-19-22-21-18(26)24(19)15-7-8-15/h3-6,9,15H,7-8,10H2,1-2H3,(H,21,26)